A0A096MHU1_POEFO Loading...

B-cell CLL/lymphoma 7 protein family member A

AlphaFold DB , UniProt , Accession A0A096MHU1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 199 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.1Low62.9Low248 Ų248140.3 Ų140.3100%1.22275%0.746SS**  091.70-67.3160.167.900108.5
2S62.9Low64Low136 Ų136133.2 Ų133.295%0.95172%0.716SS**  trans-148.9126.1175.8-165.70000108.8
3G63.4Low65.6Low65 Ų65136.3 Ų136.367%0.6771%0.711SS**  trans159.54.7-172.800000115.4
4R62.9Low67.1Low242 Ų242130.7 Ų130.791%0.91370%0.695SS**SBendtrans-89.3-12-179.5-69.7-174.3165.2-157.3-2.8114.9
5S60.3Low68.5Low101 Ų101131.5 Ų131.571%0.70669%0.69SS**SBendtrans-81.2-33.8-170-167.20000114.8R7 A8S5-R7 PolarHBondContact O-N 3.43Å; S5-R7 VanDerWaalsContact O-N 3.14Å; S5-A8 PolarHBondContact O-N 3.15Å
6V61.7Low70Confident116 Ų116127.8 Ų127.870%0.70367%0.671SS**Hα-helixtrans-66.3-23.1-175-167.20000113.3T10V6-T10 PolarHBondContact O-OG1 3.46Å
7R61.1Low71.4Confident183 Ų183125.2 Ų125.269%0.69166%0.658SS**Hα-helixtrans-80.2-21.7-176.7-164178.2-174.2-162.22.2113.6S5 T10S5-R7 PolarHBondContact O-N 3.43Å; S5-R7 VanDerWaalsContact O-N 3.14Å; R7-T10 PolarHBondContact O-OG1 3.39Å
8A64.6Low72.6Confident73 Ų73124.2 Ų124.260%0.60365%0.652SS**Hα-helixtrans-76-41.1-179.500000111.2S5 T10 R11S5-A8 PolarHBondContact O-N 3.15Å; A8-T10 PolarHBondContact O-N 3.35Å; A8-R11 PolarHBondContact O-N 3.07Å
9E65.6Low73.8Confident128 Ų128125 Ų12560%0.59865%0.649SS**Hα-helixtrans-72.2-28.9-175.7-170.2160.9102.400113.7R11 S12E9-R11 VanDerWaalsContact C-N 3.26Å; E9-R11 PolarHBondContact O-N 2.82Å; E9-S12 PolarHBondContact O-OG 3.36Å
10T65.6Low75Confident86 Ų86127.4 Ų127.453%0.52865%0.649SS.*Hα-helixtrans-73.3-17179.640.20000113.5V6 R7 A8V6-T10 PolarHBondContact O-OG1 3.46Å; R7-T10 PolarHBondContact O-OG1 3.39Å; A8-T10 PolarHBondContact O-N 3.35Å
11R68.3Low76Confident165 Ų165124.6 Ų124.662%0.62364%0.638SS**Hα-helixtrans-87-21.5-179.5-74.8-174172.3-122.2-3.8114.4A8 E9A8-R11 PolarHBondContact O-N 3.07Å; E9-R11 VanDerWaalsContact C-N 3.26Å; E9-R11 PolarHBondContact O-N 2.82Å
12S76.2Confident78Confident55 Ų55117.8 Ų117.839%0.38561%0.605SS.*Hα-helixtrans-75.6-50177.351.80000111.2E9 A14 K15 D16E9-S12 PolarHBondContact O-OG 3.36Å; S12-A14 VanDerWaalsContact C-N 3.33Å; S12-A14 PolarHBondContact O-N 3.43Å; S12-K15 WeakPolarHBondContact O-CA 2.89Å; S12-K15 WeakPolarHBondContact O-CB 3.05Å; S12-K15 PolarHBondContact O-N 2.99Å; S12-D16 VanDerWaalsContact C-OD2 3.32Å; S12-D16 PolarHBondContact O-N 2.79Å
13R84.8Confident79.6Confident174 Ų174113.1 Ų113.166%0.65758%0.575SS**Hα-helixtrans-51.3-45.8-179.1-88161.1168.6171.1-3.9114.2K15 D16 D17R13-K15 VanDerWaalsContact C-N 3.28Å; R13-K15 PolarHBondContact O-N 3.35Å; R13-D16 PolarHBondContact O-N 2.81Å; R13-D17 WeakPolarHBondContact O-CB 3.47Å; R13-D17 PolarHBondContact O-N 3.43Å
14A86.8Confident81.1Confident58 Ų58112.3 Ų112.348%0.47956%0.561SS.*Hα-helixtrans-62.6-35.9178.100000112.5S12 I18S12-A14 VanDerWaalsContact C-N 3.33Å; S12-A14 PolarHBondContact O-N 3.43Å; A14-I18 WeakPolarHBondContact O-CD1 3.34Å; A14-I18 VanDerWaalsContact O-CG1 3.31Å; A14-I18 WeakPolarHBondContact O-CG1 3.47Å; A14-I18 PolarHBondContact O-N 3.11Å
15K88.4Confident82.6Confident142 Ų142103.8 Ų103.862%0.61753%0.534SS*.Hα-helixtrans-76-36.7177.3-68.2179.7175-175.30112.3S12 R13 D17 K19S12-K15 WeakPolarHBondContact O-CA 2.89Å; S12-K15 WeakPolarHBondContact O-CB 3.05Å; S12-K15 PolarHBondContact O-N 2.99Å; R13-K15 VanDerWaalsContact C-N 3.28Å; R13-K15 PolarHBondContact O-N 3.35Å; K15-D17 VanDerWaalsContact C-N 3.35Å; K15-K19 WeakPolarHBondContact O-CG 3.3Å; K15-K19 PolarHBondContact O-N 3.32Å; K15-K19 VanDerWaalsContact O-N 3.12Å
16D93.2Very high84.2Confident72 Ų72104.6 Ų104.639%0.38553%0.526SS..Hα-helixtrans-68.9-35.2176.9-67-52.2000112S12 R13 K19 R20S12-D16 VanDerWaalsContact C-OD2 3.32Å; S12-D16 PolarHBondContact O-N 2.79Å; R13-D16 PolarHBondContact O-N 2.81Å; D16-K19 PolarHBondContact O-N 2.79Å; D16-K19 IonicContact OD1-NZ 3.96Å; D16-R20 WeakPolarHBondContact O-CB 3.38Å; D16-R20 PolarHBondContact O-N 3.33Å
17D92.6Very high85.6Confident85 Ų85106.2 Ų106.246%0.45552%0.524SS..Hα-helixtrans-64.6-44.7174.9-163.549.8000111.4R13 K15 K19 R20 V21R13-D17 WeakPolarHBondContact O-CB 3.47Å; R13-D17 PolarHBondContact O-N 3.43Å; K15-D17 VanDerWaalsContact C-N 3.35Å; D17-K19 VanDerWaalsContact C-N 3.35Å; D17-K19 PolarHBondContact O-N 2.91Å; D17-R20 WeakPolarHBondContact O-CB 3.43Å; D17-R20 PolarHBondContact O-N 2.72Å; D17-R20 VanDerWaalsContact O-N 3.16Å; D17-V21 WeakPolarHBondContact O-CB 3.41Å; D17-V21 WeakPolarHBondContact O-CG2 3.42Å; D17-V21 PolarHBondContact O-N 3.01Å
18I94Very high87.2Confident106 Ų106102 Ų10254%0.54452%0.518SS..Hα-helixtrans-57.1-47.7173.2-67.4164.5000110.9A14 R20 V21 M22A14-I18 WeakPolarHBondContact O-CD1 3.34Å; A14-I18 VanDerWaalsContact O-CG1 3.31Å; A14-I18 WeakPolarHBondContact O-CG1 3.47Å; A14-I18 PolarHBondContact O-N 3.11Å; I18-R20 VanDerWaalsContact C-N 3.33Å; I18-R20 PolarHBondContact O-N 2.66Å; I18-V21 PolarHBondContact O-N 3.36Å; I18-M22 HydrophobicContact CG2-CG 4.38Å; I18-M22 VanDerWaalsContact O-CG 3.27Å; I18-M22 WeakPolarHBondContact O-CG 3.2Å; I18-M22 PolarHBondContact O-N 3.32Å
19K95.7Very high88.6Confident140 Ų140107.4 Ų107.461%0.60952%0.523SS*.Hα-helixtrans-61.5-41.5177.8-70.8174.3-171.5166.90111.9K15 D16 D17 M22 A23K15-K19 WeakPolarHBondContact O-CG 3.3Å; K15-K19 PolarHBondContact O-N 3.32Å; K15-K19 VanDerWaalsContact O-N 3.12Å; D16-K19 PolarHBondContact O-N 2.79Å; D16-K19 IonicContact OD1-NZ 3.96Å; D17-K19 VanDerWaalsContact C-N 3.35Å; D17-K19 PolarHBondContact O-N 2.91Å; K19-M22 PolarHBondContact O-N 3.31Å; K19-A23 WeakPolarHBondContact O-CB 3.41Å; K19-A23 PolarHBondContact O-N 3.12Å
20R96.4Very high89.9Confident172 Ų172105.9 Ų105.965%0.64951%0.514SS*.Hα-helixtrans-64.1-42.8178.1-172.3-173.9-61.9157.5-1.4111.3D16 D17 I18 A23 A24D16-R20 WeakPolarHBondContact O-CB 3.38Å; D16-R20 PolarHBondContact O-N 3.33Å; D17-R20 WeakPolarHBondContact O-CB 3.43Å; D17-R20 PolarHBondContact O-N 2.72Å; D17-R20 VanDerWaalsContact O-N 3.16Å; I18-R20 VanDerWaalsContact C-N 3.33Å; I18-R20 PolarHBondContact O-N 2.66Å; R20-A23 PolarHBondContact O-N 2.96Å; R20-A24 VanDerWaalsContact O-CB 3.27Å; R20-A24 WeakPolarHBondContact O-CB 3.33Å; R20-A24 PolarHBondContact O-N 3.48Å
21V97Very high91.3Very high69 Ų69107.1 Ų107.142%0.41851%0.509SS..Hα-helixtrans-62.5-49.5175.51690000110.2D17 I18 A23 A24 I25D17-V21 WeakPolarHBondContact O-CB 3.41Å; D17-V21 WeakPolarHBondContact O-CG2 3.42Å; D17-V21 PolarHBondContact O-N 3.01Å; I18-V21 PolarHBondContact O-N 3.36Å; V21-A23 VanDerWaalsContact C-N 3.34Å; V21-A23 PolarHBondContact O-N 2.91Å; V21-A24 PolarHBondContact O-N 3.32Å; V21-A24 VanDerWaalsContact O-N 3.14Å; V21-I25 HydrophobicContact CG1-CD1 3.68Å; V21-I25 HydrophobicContact CG1-CG1 4.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.08Å; V21-I25 PolarHBondContact O-N 2.82Å
22M97.2Very high92.6Very high105 Ų105102.5 Ų102.552%0.51750%0.495SS..Hα-helixtrans-57.9-46.7177.7-67.7-61.3-117.800111.6I18 K19 A24 I25 E26I18-M22 HydrophobicContact CG2-CG 4.38Å; I18-M22 VanDerWaalsContact O-CG 3.27Å; I18-M22 WeakPolarHBondContact O-CG 3.2Å; I18-M22 PolarHBondContact O-N 3.32Å; K19-M22 PolarHBondContact O-N 3.31Å; M22-A24 PolarHBondContact O-N 3.46Å; M22-I25 PolarHBondContact O-N 3.37Å; M22-E26 WeakPolarHBondContact O-CG 3.14Å; M22-E26 PolarHBondContact O-N 3.02Å
23A95.4Very high93.6Very high39 Ų39105.1 Ų105.132%0.32250%0.499SS..Hα-helixtrans-63.9-37.3176.500000112.9K19 R20 V21 E26 K27K19-A23 WeakPolarHBondContact O-CB 3.41Å; K19-A23 PolarHBondContact O-N 3.12Å; R20-A23 PolarHBondContact O-N 2.96Å; V21-A23 VanDerWaalsContact C-N 3.34Å; V21-A23 PolarHBondContact O-N 2.91Å; A23-E26 PolarHBondContact O-N 3.25Å; A23-K27 VanDerWaalsContact O-CG 3.32Å; A23-K27 WeakPolarHBondContact O-CG 2.98Å; A23-K27 PolarHBondContact O-N 3.47Å
24A94.8Very high94.1Very high47 Ų47101.6 Ų101.639%0.38849%0.489SS..Hα-helixtrans-67-40.6175.300000111.5R20 V21 M22 K27 V28R20-A24 VanDerWaalsContact O-CB 3.27Å; R20-A24 WeakPolarHBondContact O-CB 3.33Å; R20-A24 PolarHBondContact O-N 3.48Å; V21-A24 PolarHBondContact O-N 3.32Å; V21-A24 VanDerWaalsContact O-N 3.14Å; M22-A24 PolarHBondContact O-N 3.46Å; A24-K27 WeakPolarHBondContact O-CB 3.32Å; A24-K27 PolarHBondContact O-N 2.85Å; A24-V28 WeakPolarHBondContact O-CG2 3.5Å; A24-V28 PolarHBondContact O-N 2.97Å
25I95.3Very high94.6Very high64 Ų64104.3 Ų104.333%0.32849%0.487SS..Hα-helixtrans-64.7-44.4174.8-61.1163.5000110V21 M22 K27 V28 R29V21-I25 HydrophobicContact CG1-CD1 3.68Å; V21-I25 HydrophobicContact CG1-CG1 4.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.08Å; V21-I25 PolarHBondContact O-N 2.82Å; M22-I25 PolarHBondContact O-N 3.37Å; I25-K27 VanDerWaalsContact C-N 3.27Å; I25-K27 PolarHBondContact O-N 3.38Å; I25-V28 PolarHBondContact O-N 2.83Å; I25-R29 HydrophobicContact CG2-CG 4.2Å; I25-R29 WeakPolarHBondContact O-CB 3.41Å; I25-R29 VanDerWaalsContact O-CG 3.31Å; I25-R29 WeakPolarHBondContact O-CG 3.33Å; I25-R29 PolarHBondContact O-N 2.88Å
26E93.9Very high94.9Very high117 Ų117100.6 Ų100.655%0.54748%0.475SS..Hα-helixtrans-58-39.4174.7-76.2174-169.600112.1M22 A23 K30M22-E26 WeakPolarHBondContact O-CG 3.14Å; M22-E26 PolarHBondContact O-N 3.02Å; A23-E26 PolarHBondContact O-N 3.25Å; E26-K30 WeakPolarHBondContact O-CG 3.11Å; E26-K30 PolarHBondContact O-N 3.42Å
27K91.1Very high95.1Very high151 Ų151100.7 Ų100.766%0.65748%0.479SS*.Hα-helixtrans-62.7-46.4174.2-75.7172.9-178.3175.90112.3A23 A24 I25 K30 W31A23-K27 VanDerWaalsContact O-CG 3.32Å; A23-K27 WeakPolarHBondContact O-CG 2.98Å; A23-K27 PolarHBondContact O-N 3.47Å; A24-K27 WeakPolarHBondContact O-CB 3.32Å; A24-K27 PolarHBondContact O-N 2.85Å; I25-K27 VanDerWaalsContact C-N 3.27Å; I25-K27 PolarHBondContact O-N 3.38Å; K27-K30 PolarHBondContact O-N 2.66Å; K27-W31 PolarHBondContact O-NE1 3.28Å
28V94.4Very high95.3Very high94 Ų9499.9 Ų99.957%0.5748%0.477SS*.Hα-helixtrans-71.6-32.1-179.31760000111.9A24 I25 K30 W31A24-V28 WeakPolarHBondContact O-CG2 3.5Å; A24-V28 PolarHBondContact O-N 2.97Å; I25-V28 PolarHBondContact O-N 2.83Å; V28-K30 PolarHBondContact O-N 3.14Å; V28-W31 WeakPolarHBondContact O-CB 3.45Å; V28-W31 PolarHBondContact O-N 3.46Å
29R94.5Very high95.2Very high186 Ų18698.2 Ų98.270%0.70249%0.485SS*.Hα-helixtrans-61.6-26.2175.1-81.5-179.5172.3125.95.4113.2I25 W31I25-R29 HydrophobicContact CG2-CG 4.2Å; I25-R29 WeakPolarHBondContact O-CB 3.41Å; I25-R29 VanDerWaalsContact O-CG 3.31Å; I25-R29 WeakPolarHBondContact O-CG 3.33Å; I25-R29 PolarHBondContact O-N 2.88Å; R29-W31 PolarHBondContact O-N 3.02Å
30K92.7Very high95Very high97 Ų9799.5 Ų99.542%0.42250%0.499SS..THydrogen-bonded Turntrans-88.126.3173.9-61.9-179.1-175-174.10111.7E26 K27 V28 V51 E53E26-K30 WeakPolarHBondContact O-CG 3.11Å; E26-K30 PolarHBondContact O-N 3.42Å; K27-K30 PolarHBondContact O-N 2.66Å; V28-K30 PolarHBondContact O-N 3.14Å; K30-V51 HydrophobicContact CB-CB 4.4Å; K30-V51 VanDerWaalsContact O-CA 3.3Å; K30-V51 WeakPolarHBondContact O-CA 3.41Å; K30-V51 WeakPolarHBondContact O-CB 3.37Å; K30-V51 WeakPolarHBondContact O-CG2 3.27Å; K30-V51 PolarHBondContact O-N 2.84Å; K30-E53 IonicContact NZ-OE1 2.91Å; K30-E53 PolarHBondContact NZ-OE1 3.44Å
31W95.8Very high94.8Very high112 Ų11294.8 Ų94.842%0.42449%0.49SS..EExtended strand (participates in β ladder)trans-96.8132.3173.3-73.530.7000109.1K27 V28 R29 W48 V49 P50K27-W31 PolarHBondContact O-NE1 3.28Å; V28-W31 WeakPolarHBondContact O-CB 3.45Å; V28-W31 PolarHBondContact O-N 3.46Å; R29-W31 PolarHBondContact O-N 3.02Å; W31-W48 HydrophobicContact CB-CB 4.44Å; W31-W48 HydrophobicContact CB-CE3 4.22Å; W31-W48 HydrophobicContact CE3-CB 3.6Å; W31-W48 HydrophobicContact CZ3-CB 4.29Å; W31-V49 WeakPolarHBondContact CA-O 3.27Å; W31-P50 HydrophobicContact CZ2-CG 4.11Å
32E95.6Very high94.6Very high67 Ų6797.3 Ų97.331%0.31351%0.51SS..EExtended strand (participates in β ladder)trans-106.9144.5177.161.2176.6-175.500110.6K34 W48 V49 V51E32-K34 VanDerWaalsContact CD-CE 3.42Å; E32-K34 HydrophobicContact CG-CG 3.75Å; E32-K34 PolarHBondContact O-N 2.97Å; E32-K34 WeakPolarHBondContact OE1-CE 3.32Å; E32-K34 WeakPolarHBondContact OE1-CG 3.45Å; E32-K34 IonicContact OE1-NZ 2.66Å; E32-K34 PolarHBondContact OE1-NZ 3.46Å; E32-K34 WeakPolarHBondContact OE2-CE 3.49Å; E32-K34 IonicContact OE2-NZ 2.66Å; E32-K34 PolarHBondContact OE2-NZ 3.2Å; E32-W48 WeakPolarHBondContact O-CA 3.41Å; E32-V49 PolarHBondContact N-O 3.38Å; E32-V49 PolarHBondContact O-N 2.88Å; E32-V51 HydrophobicContact CB-CG2 3.39Å; E32-V51 HydrophobicContact CG-CG2 3.37Å
33K96.7Very high94.6Very high111 Ų11197.6 Ų97.648%0.48351%0.513SS..EExtended strand (participates in β ladder)trans-83.5106.9173.9-171.9175.3177.4178.10108.4Y46 W48K33-Y46 HydrophobicContact CD-CD1 4.13Å; K33-Y46 HydrophobicContact CD-CG 4.12Å; K33-Y46 VanDerWaalsContact CE-CD2 3.47Å; K33-Y46 HydrophobicContact CG-CD1 3.58Å; K33-Y46 HydrophobicContact CG-CE1 4.27Å; K33-Y46 HydrophobicContact CG-CG 3.9Å; K33-W48 HydrophobicContact CB-CD2 4.33Å; K33-W48 HydrophobicContact CB-CE3 4.02Å; K33-W48 HydrophobicContact CB-CH2 4.16Å; K33-W48 HydrophobicContact CB-CZ2 4.46Å; K33-W48 HydrophobicContact CB-CZ3 3.94Å; K33-W48 HydrophobicContact CD-CZ2 4.43Å
34K95.6Very high94.5Very high100 Ų100102.7 Ų102.744%0.43552%0.524SS..EExtended strand (participates in β ladder)trans-117.9147.3178.8-74.8-79.2171790110.8E32 V36 Y46 K47 V49E32-K34 VanDerWaalsContact CD-CE 3.42Å; E32-K34 HydrophobicContact CG-CG 3.75Å; E32-K34 PolarHBondContact O-N 2.97Å; E32-K34 WeakPolarHBondContact OE1-CE 3.32Å; E32-K34 WeakPolarHBondContact OE1-CG 3.45Å; E32-K34 IonicContact OE1-NZ 2.66Å; E32-K34 PolarHBondContact OE1-NZ 3.46Å; E32-K34 WeakPolarHBondContact OE2-CE 3.49Å; E32-K34 IonicContact OE2-NZ 2.66Å; E32-K34 PolarHBondContact OE2-NZ 3.2Å; K34-V36 PolarHBondContact O-N 3.43Å; K34-Y46 WeakPolarHBondContact O-CA 3.31Å; K34-K47 PolarHBondContact N-O 3.34Å; K34-K47 PolarHBondContact O-N 2.91Å; K34-V49 HydrophobicContact CB-CG2 4.3Å
35W96.1Very high94.7Very high115 Ų115104.7 Ų104.744%0.43653%0.527SS..EExtended strand (participates in β ladder)trans-74.9116.7172.1-75.1114.6000109.8R44 I45 Y46W35-R44 HydrophobicContact CB-CB 4.32Å; W35-R44 HydrophobicContact CD2-CB 4.46Å; W35-R44 HydrophobicContact CE3-CB 3.93Å; W35-R44 WeakPolarHBondContact CZ3-O 3.22Å; W35-I45 VanDerWaalsContact CE3-C 3.47Å; W35-Y46 AromaticContact CD1-CE1 3.52Å; W35-Y46 AromaticContact CD1-CZ 3.92Å; W35-Y46 AromaticContact CD2-CD1 3.7Å; W35-Y46 HydrophobicContact CD2-CD1 3.7Å; W35-Y46 HydrophobicContact CD2-CD2 4.12Å; W35-Y46 AromaticContact CD2-CE1 3.58Å; W35-Y46 HydrophobicContact CD2-CE1 3.58Å; W35-Y46 HydrophobicContact CD2-CE2 4.03Å; W35-Y46 AromaticContact CD2-CG 3.99Å; W35-Y46 HydrophobicContact CD2-CG 3.99Å; W35-Y46 AromaticContact CD2-CZ 3.75Å; W35-Y46 AromaticContact CE2-CD1 3.9Å; W35-Y46 AromaticContact CE2-CD2 3.92Å; W35-Y46 AromaticContact CE2-CE1 3.32Å; W35-Y46 AromaticContact CE2-CE2 3.36Å; W35-Y46 AromaticContact CE2-CZ 3.01Å; W35-Y46 VanDerWaalsContact CE2-OH 3.24Å; W35-Y46 HydrophobicContact CE3-CD1 4.05Å; W35-Y46 AromaticContact CE3-CD2 3.96Å; W35-Y46 HydrophobicContact CE3-CD2 3.96Å; W35-Y46 HydrophobicContact CE3-CE1 4.32Å; W35-Y46 HydrophobicContact CE3-CE2 4.25Å; W35-Y46 AromaticContact CE3-CG 3.88Å; W35-Y46 HydrophobicContact CE3-CG 3.88Å; W35-Y46 AromaticContact CG-CD1 3.98Å; W35-Y46 HydrophobicContact CG-CD1 3.98Å; W35-Y46 AromaticContact CG-CE1 3.76Å; W35-Y46 HydrophobicContact CG-CE1 3.76Å; W35-Y46 AromaticContact CH2-CD2 3.41Å; W35-Y46 HydrophobicContact CH2-CD2 3.41Å; W35-Y46 VanDerWaalsContact CH2-CD2 3.41Å; W35-Y46 AromaticContact CH2-CE2 3.25Å; W35-Y46 HydrophobicContact CH2-CE2 3.25Å; W35-Y46 HydrophobicContact CH2-CG 4.18Å; W35-Y46 AromaticContact CH2-CZ 3.89Å; W35-Y46 HydrophobicContact CZ2-CD1 4.43Å; W35-Y46 AromaticContact CZ2-CD2 3.6Å; W35-Y46 HydrophobicContact CZ2-CD2 3.6Å; W35-Y46 AromaticContact CZ2-CE1 3.91Å; W35-Y46 HydrophobicContact CZ2-CE1 3.91Å; W35-Y46 AromaticContact CZ2-CE2 2.96Å; W35-Y46 HydrophobicContact CZ2-CE2 2.96Å; W35-Y46 HydrophobicContact CZ2-CG 4.31Å; W35-Y46 AromaticContact CZ2-CZ 3.13Å; W35-Y46 WeakPolarHBondContact CZ2-OH 3.4Å; W35-Y46 AromaticContact CZ3-CD2 3.59Å; W35-Y46 HydrophobicContact CZ3-CD2 3.59Å; W35-Y46 AromaticContact CZ3-CE2 3.89Å; W35-Y46 HydrophobicContact CZ3-CE2 3.89Å; W35-Y46 AromaticContact CZ3-CG 3.96Å; W35-Y46 HydrophobicContact CZ3-CG 3.96Å; W35-Y46 AromaticContact NE1-CE1 3.24Å; W35-Y46 AromaticContact NE1-CE2 3.97Å; W35-Y46 AromaticContact NE1-CZ 3.12Å; W35-Y46 PolarHBondContact NE1-OH 3.36Å
36V95.5Very high94.7Very high63 Ų63106.8 Ų106.838%0.38253%0.532SS..EExtended strand (participates in β ladder)trans-113.1134176.9-178.50000108.8K34 R44 I45 K47 V49K34-V36 PolarHBondContact O-N 3.43Å; V36-R44 CarbonylContact O-C 3.58Å; V36-R44 WeakPolarHBondContact O-CA 3.43Å; V36-I45 PolarHBondContact N-O 2.92Å; V36-I45 PolarHBondContact O-N 3.21Å; V36-K47 HydrophobicContact CB-CB 4.38Å; V36-K47 HydrophobicContact CG2-CB 3.88Å; V36-V49 HydrophobicContact CG2-CG2 4.13Å
37T96.6Very high94.9Very high75 Ų75107.5 Ų107.546%0.4653%0.533SS..EExtended strand (participates in β ladder)trans-72141.4177.4-52.40000110.8T41 L43T37-T41 WeakPolarHBondContact CG2-O 3.45Å; T37-L43 WeakPolarHBondContact CA-O 3.33Å; T37-L43 WeakPolarHBondContact CG2-O 3.5Å
38V96.1Very high95.1Very high68 Ų68107.7 Ų107.741%0.41253%0.53SS..  trans-100.9114.1-178.6-175.70000110.3T41 L43 I45V38-T41 PolarHBondContact O-N 2.87Å; V38-T41 PolarHBondContact O-OG1 3.25Å; V38-L43 PolarHBondContact N-O 2.9Å; V38-I45 HydrophobicContact CG2-CB 3.99Å; V38-I45 HydrophobicContact CG2-CD1 3.43Å; V38-I45 VanDerWaalsContact CG2-CD1 3.43Å; V38-I45 HydrophobicContact CG2-CG1 3.5Å
39G92.4Very high95.1Very high70 Ų70105.5 Ų105.572%0.72252%0.517SS*.THydrogen-bonded Turntrans63-139.5178.500000112.2
40D91.9Very high95.1Very high167 Ų167100.2 Ų100.289%0.89351%0.507SS*.THydrogen-bonded Turntrans-92.84.9176.660.4-29.2000113.5
41T93.3Very high95.1Very high74 Ų7497.9 Ų97.945%0.45450%0.5SS..SBendtrans-86.5165.5-178.672.10000112.9T37 V38 L43T37-T41 WeakPolarHBondContact CG2-O 3.45Å; V38-T41 PolarHBondContact O-N 2.87Å; V38-T41 PolarHBondContact O-OG1 3.25Å; T41-L43 PolarHBondContact O-N 2.83Å; T41-L43 WeakPolarHBondContact OG1-CB 3.44Å; T41-L43 PolarHBondContact OG1-N 3.23Å
42S92Very high94.4Very high122 Ų12298.3 Ų98.385%0.85352%0.515SS*.SBendtrans-77.80.5171.360.40000113.9
43L96.4Very high92.8Very high111 Ų111101.6 Ų101.658%0.58153%0.531SS*.  trans-74.9137.7-177.8-132.592.2000111.1T37 V38 T41T37-L43 WeakPolarHBondContact CA-O 3.33Å; T37-L43 WeakPolarHBondContact CG2-O 3.5Å; V38-L43 PolarHBondContact N-O 2.9Å; T41-L43 PolarHBondContact O-N 2.83Å; T41-L43 WeakPolarHBondContact OG1-CB 3.44Å; T41-L43 PolarHBondContact OG1-N 3.23Å
44R94.9Very high91.1Very high145 Ų145100.5 Ų100.555%0.54754%0.535SS..EExtended strand (participates in β ladder)trans-120.2136.8176.5-62.7170.572.5-165.45.1109.8W35 V36W35-R44 HydrophobicContact CB-CB 4.32Å; W35-R44 HydrophobicContact CD2-CB 4.46Å; W35-R44 HydrophobicContact CE3-CB 3.93Å; W35-R44 WeakPolarHBondContact CZ3-O 3.22Å; V36-R44 CarbonylContact O-C 3.58Å; V36-R44 WeakPolarHBondContact O-CA 3.43Å
45I97Very high89.2Confident89 Ų89105.1 Ų105.146%0.45656%0.555SS.*EExtended strand (participates in β ladder)trans-122.9142.6177.4-62.6-174.7000109.2W35 V36 V38 K47W35-I45 VanDerWaalsContact CE3-C 3.47Å; V36-I45 PolarHBondContact N-O 2.92Å; V36-I45 PolarHBondContact O-N 3.21Å; V38-I45 HydrophobicContact CG2-CB 3.99Å; V38-I45 HydrophobicContact CG2-CD1 3.43Å; V38-I45 VanDerWaalsContact CG2-CD1 3.43Å; V38-I45 HydrophobicContact CG2-CG1 3.5Å; I45-K47 PolarHBondContact O-N 2.94Å
46Y97.1Very high87Confident108 Ų108104.1 Ų104.142%0.42457%0.565SS.*EExtended strand (participates in β ladder)trans-70120.4170.2-77.6-63.6000111.2K33 K34 W35K33-Y46 HydrophobicContact CD-CD1 4.13Å; K33-Y46 HydrophobicContact CD-CG 4.12Å; K33-Y46 VanDerWaalsContact CE-CD2 3.47Å; K33-Y46 HydrophobicContact CG-CD1 3.58Å; K33-Y46 HydrophobicContact CG-CE1 4.27Å; K33-Y46 HydrophobicContact CG-CG 3.9Å; K34-Y46 WeakPolarHBondContact O-CA 3.31Å; W35-Y46 AromaticContact CD1-CE1 3.52Å; W35-Y46 AromaticContact CD1-CZ 3.92Å; W35-Y46 AromaticContact CD2-CD1 3.7Å; W35-Y46 HydrophobicContact CD2-CD1 3.7Å; W35-Y46 HydrophobicContact CD2-CD2 4.12Å; W35-Y46 AromaticContact CD2-CE1 3.58Å; W35-Y46 HydrophobicContact CD2-CE1 3.58Å; W35-Y46 HydrophobicContact CD2-CE2 4.03Å; W35-Y46 AromaticContact CD2-CG 3.99Å; W35-Y46 HydrophobicContact CD2-CG 3.99Å; W35-Y46 AromaticContact CD2-CZ 3.75Å; W35-Y46 AromaticContact CE2-CD1 3.9Å; W35-Y46 AromaticContact CE2-CD2 3.92Å; W35-Y46 AromaticContact CE2-CE1 3.32Å; W35-Y46 AromaticContact CE2-CE2 3.36Å; W35-Y46 AromaticContact CE2-CZ 3.01Å; W35-Y46 VanDerWaalsContact CE2-OH 3.24Å; W35-Y46 HydrophobicContact CE3-CD1 4.05Å; W35-Y46 AromaticContact CE3-CD2 3.96Å; W35-Y46 HydrophobicContact CE3-CD2 3.96Å; W35-Y46 HydrophobicContact CE3-CE1 4.32Å; W35-Y46 HydrophobicContact CE3-CE2 4.25Å; W35-Y46 AromaticContact CE3-CG 3.88Å; W35-Y46 HydrophobicContact CE3-CG 3.88Å; W35-Y46 AromaticContact CG-CD1 3.98Å; W35-Y46 HydrophobicContact CG-CD1 3.98Å; W35-Y46 AromaticContact CG-CE1 3.76Å; W35-Y46 HydrophobicContact CG-CE1 3.76Å; W35-Y46 AromaticContact CH2-CD2 3.41Å; W35-Y46 HydrophobicContact CH2-CD2 3.41Å; W35-Y46 VanDerWaalsContact CH2-CD2 3.41Å; W35-Y46 AromaticContact CH2-CE2 3.25Å; W35-Y46 HydrophobicContact CH2-CE2 3.25Å; W35-Y46 HydrophobicContact CH2-CG 4.18Å; W35-Y46 AromaticContact CH2-CZ 3.89Å; W35-Y46 HydrophobicContact CZ2-CD1 4.43Å; W35-Y46 AromaticContact CZ2-CD2 3.6Å; W35-Y46 HydrophobicContact CZ2-CD2 3.6Å; W35-Y46 AromaticContact CZ2-CE1 3.91Å; W35-Y46 HydrophobicContact CZ2-CE1 3.91Å; W35-Y46 AromaticContact CZ2-CE2 2.96Å; W35-Y46 HydrophobicContact CZ2-CE2 2.96Å; W35-Y46 HydrophobicContact CZ2-CG 4.31Å; W35-Y46 AromaticContact CZ2-CZ 3.13Å; W35-Y46 WeakPolarHBondContact CZ2-OH 3.4Å; W35-Y46 AromaticContact CZ3-CD2 3.59Å; W35-Y46 HydrophobicContact CZ3-CD2 3.59Å; W35-Y46 AromaticContact CZ3-CE2 3.89Å; W35-Y46 HydrophobicContact CZ3-CE2 3.89Å; W35-Y46 AromaticContact CZ3-CG 3.96Å; W35-Y46 HydrophobicContact CZ3-CG 3.96Å; W35-Y46 AromaticContact NE1-CE1 3.24Å; W35-Y46 AromaticContact NE1-CE2 3.97Å; W35-Y46 AromaticContact NE1-CZ 3.12Å; W35-Y46 PolarHBondContact NE1-OH 3.36Å
47K96.5Very high84.6Confident132 Ų132108 Ų10857%0.57458%0.584SS**EExtended strand (participates in β ladder)trans-117.6145.1170-167.790.778.2170.60108.5K34 V36 I45 V49K34-K47 PolarHBondContact N-O 3.34Å; K34-K47 PolarHBondContact O-N 2.91Å; V36-K47 HydrophobicContact CB-CB 4.38Å; V36-K47 HydrophobicContact CG2-CB 3.88Å; I45-K47 PolarHBondContact O-N 2.94Å; K47-V49 HydrophobicContact CB-CG2 4.36Å; K47-V49 PolarHBondContact O-N 3.31Å
48W96.5Very high82.4Confident155 Ų155110 Ų11059%0.58759%0.592SS**EExtended strand (participates in β ladder)trans-77.8116.8166-64.7101.4000108.9W31 E32 K33W31-W48 HydrophobicContact CB-CB 4.44Å; W31-W48 HydrophobicContact CB-CE3 4.22Å; W31-W48 HydrophobicContact CE3-CB 3.6Å; W31-W48 HydrophobicContact CZ3-CB 4.29Å; E32-W48 WeakPolarHBondContact O-CA 3.41Å; K33-W48 HydrophobicContact CB-CD2 4.33Å; K33-W48 HydrophobicContact CB-CE3 4.02Å; K33-W48 HydrophobicContact CB-CH2 4.16Å; K33-W48 HydrophobicContact CB-CZ2 4.46Å; K33-W48 HydrophobicContact CB-CZ3 3.94Å; K33-W48 HydrophobicContact CD-CZ2 4.43Å
49V94.8Very high80.4Confident49 Ų49116.2 Ų116.230%0.29761%0.613SS.*EExtended strand (participates in β ladder)trans-113.7138.8-178.2-174.50000107.9W31 E32 K34 V36 K47 V51W31-V49 WeakPolarHBondContact CA-O 3.27Å; E32-V49 PolarHBondContact N-O 3.38Å; E32-V49 PolarHBondContact O-N 2.88Å; K34-V49 HydrophobicContact CB-CG2 4.3Å; V36-V49 HydrophobicContact CG2-CG2 4.13Å; K47-V49 HydrophobicContact CB-CG2 4.36Å; K47-V49 PolarHBondContact O-N 3.31Å; V49-V51 PolarHBondContact O-N 3.32Å
50P94.6Very high78.5Confident75 Ų75120 Ų12049%0.48762%0.617SS.*EExtended strand (participates in β ladder)trans-58.9127.5175.2-22.332.7000111.5W31 T52W31-P50 HydrophobicContact CZ2-CG 4.11Å; P50-T52 PolarHBondContact O-N 3.16Å
51V91.5Very high76.7Confident47 Ų47120.7 Ų120.729%0.28561%0.612SS.*  trans-81.699.7167.4-173.90000106.9K30 E32 V49 E53K30-V51 HydrophobicContact CB-CB 4.4Å; K30-V51 VanDerWaalsContact O-CA 3.3Å; K30-V51 WeakPolarHBondContact O-CA 3.41Å; K30-V51 WeakPolarHBondContact O-CB 3.37Å; K30-V51 WeakPolarHBondContact O-CG2 3.27Å; K30-V51 PolarHBondContact O-N 2.84Å; E32-V51 HydrophobicContact CB-CG2 3.39Å; E32-V51 HydrophobicContact CG-CG2 3.37Å; V49-V51 PolarHBondContact O-N 3.32Å; V51-E53 PolarHBondContact O-N 3.43Å
52T81.1Confident74.6Confident121 Ų121124.1 Ų124.174%0.74263%0.628SS**  trans-67.3121.6157.952.40000106.3P50 P54P50-T52 PolarHBondContact O-N 3.16Å; T52-P54 WeakPolarHBondContact O-CD 3.41Å
53E63.1Low72.8Confident137 Ų137128.2 Ų128.264%0.6463%0.63SS**  trans-43.7110174.1-77.6176.3-174.100109K30 V51 K55K30-E53 IonicContact NZ-OE1 2.91Å; K30-E53 PolarHBondContact NZ-OE1 3.44Å; V51-E53 PolarHBondContact O-N 3.43Å; E53-K55 PolarHBondContact O-N 3.4Å
54P60.2Low70.7Confident87 Ų87131.4 Ų131.457%0.56564%0.639SS**  trans-66.8111167.426.2-26.8000104.3T52 S56T52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-S56 VanDerWaalsContact C-N 3.33Å; P54-S56 PolarHBondContact O-N 3.39Å
55K54.7Low68.3Low198 Ų198133.5 Ų133.586%0.86165%0.652SS**SBendtrans-52.8106.5166.9-76-165.4177.6173.40106.3E53E53-K55 PolarHBondContact O-N 3.4Å
56S50.1Low66.2Low93 Ų93132.9 Ų132.965%0.6567%0.668SS**  trans53.187.4170.5580000116.9P54P54-S56 VanDerWaalsContact C-N 3.33Å; P54-S56 PolarHBondContact O-N 3.39Å
57D45.4Very low63.8Low146 Ų146137.4 Ų137.478%0.78169%0.69SS**  trans-89.432.6135.7-99.4-57.8000110.6K59D57-K59 PolarHBondContact O-N 2.85Å; D57-K59 VanDerWaalsContact O-N 3.12Å
58D50.8Low61.1Low115 Ų115136.8 Ų136.862%0.61569%0.693SS**  trans-82.433.9173.4-117.7-38.1000111.7N60D58-N60 PolarHBondContact O-N 3.12Å
59K53.1Low58.6Low199 Ų199137.2 Ų137.287%0.86571%0.707SS**THydrogen-bonded Turntrans-75.61179.9-103.3-177.6-174172.20114.1D57D57-K59 PolarHBondContact O-N 2.85Å; D57-K59 VanDerWaalsContact O-N 3.12Å
60N54.5Low56.4Low149 Ų149142.5 Ų142.580%0.79773%0.726SS**THydrogen-bonded Turntrans-126.25.7-173.2-159.539.7000118.3D58D58-N60 PolarHBondContact O-N 3.12Å
61K53.6Low53.6Low183 Ų183150.3 Ų150.380%0.79675%0.747SS**THydrogen-bonded Turntrans-143.813.6173.7-95.5-167.3-173.3171.20119.6K63K61-K63 PolarHBondContact O-N 3.41Å
62N49.6Very low51.2Low146 Ų146151.9 Ų151.978%0.78177%0.773SS**  trans-10669.1174.4-78.646.3000113
63K52.5Low49.6Very low207 Ų207151.6 Ų151.690%0.978%0.776SS**  trans-104.698.1151.4-162.1169-172.8165.50108.1K61K61-K63 PolarHBondContact O-N 3.41Å
64K52.2Low48.6Very low179 Ų179154 Ų15478%0.77879%0.788SS**SBendtrans130.5124.4139.9-155.1165-180161.60115.5
65K46.1Very low48Very low188 Ų188155.7 Ų155.782%0.81780%0.796SS**  trans82.5113.9168.6-50.5-156.3178.8-179.80114.9
66G52.1Low47.1Very low77 Ų77152.6 Ų152.679%0.79479%0.794SS**  cis87.489.625.800000110.5
67K47.4Very low46.9Very low202 Ų202154.4 Ų154.488%0.87880%0.801SS**  trans-159.281.4163.8-162.5111.4179.3-177.30106.9
68D39.8Very low47Very low120 Ų120153.2 Ų153.264%0.64280%0.801SS**  69.187.9111.9-167.2-124.5000112.2K70D68-K70 PolarHBondContact O-N 2.89Å
69D43.1Very low46.8Very low164 Ų164156.4 Ų156.488%0.87781%0.813SS**  trans-66.2111.1155.2-94.3-71.5000109.1
70K49.6Very low46.6Very low159 Ų159154.2 Ų154.269%0.69181%0.81SS**  trans-14498.4155.8-72.8-164.3-150.6-179.40109.9D68D68-K70 PolarHBondContact O-N 2.89Å
71Y34.5Very low46.2Very low239 Ų239152.5 Ų152.594%0.93781%0.81SS**SBend-177.8121.6120.2-118.7-98.8000109.9
72G41.8Very low46Very low81 Ų81149.3 Ų149.384%0.83581%0.811SS**  trans111.853.2156.600000117.7
73S47.9Very low46.1Very low115 Ų115147.3 Ų147.380%0.80481%0.808SS**  trans-130.593.2157.8172.60000109.4
74E42Very low46.8Very low187 Ų187143.2 Ų143.287%0.87480%0.803SS**  trans-122.4104.6154.5-58.7-134.1119.100105.3
75V46.7Very low47Very low123 Ų123137.4 Ų137.475%0.74579%0.794SS**  59.1104.1108.3167.10000112.2
76T36.8Very low47.9Very low133 Ų133136 Ų13682%0.81679%0.792SS**  -173.9110.9119.739.80000109.3
77T45.1Very low48.5Very low131 Ų131140.2 Ų140.280%0.80479%0.793SS**  trans-107.8134.6151.8-27.20000105.3
78P48.1Very low49.1Very low120 Ų120136.1 Ų136.178%0.77978%0.781SS**  -136.1142.7106.934-21.1000113
79E46.8Very low50.4Low183 Ų183139.4 Ų139.486%0.85579%0.794SS**  trans-53.3151.9160.8-64.2-174.683.800111.5
80N48.6Very low51.5Low153 Ų153138.5 Ų138.582%0.81879%0.785SS**  trans97.585.8172.5-157.1-36.3000116.7
81S47Very low52.2Low113 Ų113137.6 Ų137.679%0.7979%0.788SS**  trans-165.5117133.4-750000109.9
82S47.7Very low53.5Low115 Ų115133.1 Ų133.180%0.80478%0.78SS**  trans4.9141.6145.3-148.70000117.3
83S52.9Low54.3Low105 Ų105135.4 Ų135.473%0.73477%0.773SS**  cis-173.2171.715.9-129.20000107.7
84P66Low54.9Low120 Ų120134.4 Ų134.478%0.77977%0.766SS**  trans-88.9138.9-165.935.6-31.1000113.4
85G56.7Low55.6Low58 Ų58132.2 Ų132.260%0.59876%0.76SS**  trans-148.3108.2164.300000107.6
86M65.1Low56.5Low159 Ų159135.1 Ų135.178%0.78377%0.765SS**  41.878.265.3-61.4-54.7-57.300112.2
87M64.3Low57.4Low165 Ų165134.9 Ų134.981%0.81377%0.769SS**  -143.6104.5122.9-43.881.3-161.600106.8M89M87-M89 PolarHBondContact O-N 3.14Å; M87-M89 VanDerWaalsContact O-N 3.15Å
88D61.2Low58.2Low115 Ų115133.9 Ų133.962%0.61577%0.768SS**  trans-44.4114.7151.8-140.6-102.2000106.7H90D88-H90 PolarHBondContact O-N 3.29Å
89M67.4Low58.5Low189 Ų189135.8 Ų135.893%0.93177%0.77SS**  trans-72.386.7169.2-79.8-179.186.700106.2M87 D91M87-M89 PolarHBondContact O-N 3.14Å; M87-M89 VanDerWaalsContact O-N 3.15Å; M89-D91 PolarHBondContact O-N 3.3Å
90H65.6Low58.9Low146 Ų146132 Ų13268%0.67677%0.769SS**  trans-49.7129.1172-83.2-78.9000110D88 D92D88-H90 PolarHBondContact O-N 3.29Å; H90-D92 PolarHBondContact O-N 3.47Å; H90-D92 VanDerWaalsContact O-N 3.07Å
91D64.3Low59.1Low140 Ų140131.7 Ų131.775%0.74977%0.768SS**  trans-57.896.7167.8-179.242.6000110.3M89M89-D91 PolarHBondContact O-N 3.3Å
92D61.5Low59.3Low145 Ų145132 Ų13278%0.77577%0.77SS**  trans-123.747.6170.9-94.3-56.5000110.6H90H90-D92 PolarHBondContact O-N 3.47Å; H90-D92 VanDerWaalsContact O-N 3.07Å
93N59.7Low59.1Low129 Ų129131.1 Ų131.169%0.6976%0.764SS**  trans-110.849.1152.1-164.223.2000110.5N95N93-N95 PolarHBondContact O-N 3.35Å; N93-N95 VanDerWaalsContact O-N 3.11Å; N93-N95 PolarHBondContact OD1-ND2 3.01Å
94S59.3Low59.2Low93 Ų93130.8 Ų130.865%0.6576%0.759SS**  trans-62.798.7156.1-84.80000109.2
95N56.8Low58.5Low142 Ų142130.5 Ų130.576%0.75976%0.755SS**  trans-98.8119.9150.6-87.8-63.9000108.7N93N93-N95 PolarHBondContact O-N 3.35Å; N93-N95 VanDerWaalsContact O-N 3.11Å; N93-N95 PolarHBondContact OD1-ND2 3.01Å
96Q65Low58.4Low183 Ų183136.4 Ų136.486%0.85576%0.764SS**  trans-50.4128.1-173.4-60.4-179.6-16.300113.4
97S55.9Low57.6Low128 Ų128137 Ų13790%0.89577%0.765SS**  trans-148.179.8142.9-750000108.9
98S61.9Low56.8Low110 Ų110137.4 Ų137.477%0.76977%0.765SS**  trans-80.9121.4146.2174.60000106.6
99I54.9Low55.9Low161 Ų161137.3 Ų137.383%0.82676%0.764SS**  trans167.9100.5134.951123.9000109.3
100A55Low54.9Low102 Ų102133.2 Ų133.284%0.84376%0.755SS**  trans177.866.9135.200000108.9
101D52.5Low54.1Low148 Ų148132.6 Ų132.679%0.79177%0.765SS**  trans-87109.3144.8179.944.5000106.7
102S51.8Low53.1Low118 Ų118130.7 Ų130.783%0.82576%0.763SS**  trans-15385.9160.3-72.90000106.7
103S44.2Very low52.3Low98 Ų98129.4 Ų129.469%0.68576%0.76SS**  trans-41.2176157.2-136.50000113.6
104P55Low51.5Low98 Ų98128.8 Ų128.864%0.63677%0.766SS**  cis-146.1175.31.945.2-26.2000116.6
105V49.9Very low51.2Low114 Ų114130.2 Ų130.269%0.69177%0.773SS**  trans66.8139.3150.1-28.50000123.9
106K54.4Low50.7Low182 Ų182128.1 Ų128.179%0.79178%0.775SS**  trans71.4110.6149.7-67.4170.8179.7-172.50118
107Q49.7Very low49.9Very low170 Ų170124.6 Ų124.679%0.79477%0.768SS**  -161.3111.8104.5-163.8162.3-55.400111.2N109Q107-N109 WeakPolarHBondContact CG-OD1 3.31Å; Q107-N109 PolarHBondContact NE2-OD1 3.42Å
108E47.4Very low49.4Very low175 Ų175127.3 Ų127.382%0.81877%0.767SS**  trans-98.679.6173.844.9179.887.700109
109N42.3Very low48.5Very low112 Ų112127.6 Ų127.660%0.59977%0.769SS**  trans-159.1131168.1-34.590.1000107.1Q107Q107-N109 WeakPolarHBondContact CG-OD1 3.31Å; Q107-N109 PolarHBondContact NE2-OD1 3.42Å
110S46.8Very low47.7Very low104 Ų104127.3 Ų127.373%0.72777%0.769SS**  cis-163.5151.9-4.5-75.80000105.8S112S110-S112 PolarHBondContact O-N 3.35Å
111C47.3Very low47.2Very low132 Ų132127.1 Ų127.189%0.89277%0.768SS**  trans-55.9126.4154.5-160.10000108.9
112S44.2Very low46.6Very low100 Ų100124.1 Ų124.170%0.69976%0.763SS**  trans-159.893.6163.3-131.50000108.7S110S110-S112 PolarHBondContact O-N 3.35Å
113T44.9Very low46.3Very low118 Ų118124 Ų12472%0.72476%0.763SS**  56.7114.5107.364.70000114.6
114S41.3Very low46.1Very low117 Ų117127.7 Ų127.782%0.81877%0.773SS**  trans-43.1158.5161.8-61.40000113.2
115P53.4Low45.4Very low122 Ų122134 Ų13479%0.79278%0.784SS**  -140.7137.6106.433.2-18.1000113.9
116A46.3Very low44.7Very low98 Ų98135.5 Ų135.581%0.8179%0.789SS**  trans-97130.4144.800000106.5
117P48.7Very low43.9Very low109 Ų109133.9 Ų133.971%0.70879%0.789SS**  -136.6164.4113.329.6-10.3000108.9
118E44.5Very low43.3Very low186 Ų186128.6 Ų128.687%0.86978%0.78SS**  -160.4138.966.6-60.3-163.7103.500111.9
119S44.4Very low42.8Very low115 Ų115129 Ų12980%0.80478%0.782SS**  trans-75137.716158.80000110.1
120N37.1Very low42.6Very low156 Ų156128 Ų12883%0.83479%0.789SS**  trans-134.9104.9152.5-155-2.6000110.2
121A44.4Very low42.3Very low98 Ų98132.1 Ų132.181%0.8179%0.794SS**  trans-93.2117.7162.700000107.3
122A40.3Very low41.8Very low85 Ų85132 Ų13270%0.70279%0.789SS**  trans-150.6103.2158.900000109.3
123S44.7Very low41.5Very low116 Ų116133.6 Ų133.681%0.81179%0.79SS**  trans-47.3130.4158.346.80000112.1
124L40.5Very low41.3Very low174 Ų174136.2 Ų136.291%0.91179%0.794SS**  trans-128.191.2155-169.663000108
125R41.8Very low41.3Very low230 Ų230135.8 Ų135.887%0.86879%0.791SS**  trans-87.4156.1158.7-70.8-178.479.4-1534.3107.8
126D35.3Very low41.5Very low146 Ų146135.4 Ų135.478%0.78179%0.789SS**  trans97.1105160.5-149.1-106.5000116.2
127N36.5Very low40.9Very low148 Ų148137.8 Ų137.879%0.79179%0.788SS**  -159.9120.7119.3-151.131000108.3
128G37.5Very low40.5Very low59 Ų59136.2 Ų136.261%0.60878%0.779SS**  trans-105.3154.6-178.900000112.5
129E36.2Very low40.4Very low184 Ų184136.6 Ų136.686%0.8678%0.778SS**  trans-147.2104.2168.1-57.8-168.5125.200111.6
130A37.8Very low39.8Very low90 Ų90143.6 Ų143.674%0.74479%0.787SS**  trans31.2131.2147.500000122.7
131K41.5Very low39.7Very low191 Ų191139.3 Ų139.383%0.8378%0.78SS**  169.9114102.1-80.4-168.5-168.7-168.30108.8
132T36.6Very low39.4Very low130 Ų130144.2 Ų144.280%0.79878%0.783SS**  58.4116.5100.5-51.50000111.2
133D37.4Very low39Very low133 Ų133145 Ų14571%0.71178%0.783SS**  -178.2164.552.9-161.8-144000111.6
134Q40.1Very low39Very low173 Ų173146.5 Ų146.581%0.80878%0.781SS**  trans92.6123.9158.5-59.9-143.946.100122.3
135S42.1Very low39Very low108 Ų108144 Ų14476%0.75577%0.774SS**  trans-107.6-162.2-179.7-157.20000109
136P57.8Low38.5Very low115 Ų115139.7 Ų139.775%0.74777%0.774SS**  -116.1176.1-117.833.3-11.9000114.2
137D33.8Very low38.6Very low147 Ų147137.9 Ų137.979%0.78677%0.773SS**  trans136.1123.6132.1-157.7-124.8000117.7
138S39.4Very low38.7Very low76 Ų76139.5 Ų139.553%0.53178%0.775SS.*  trans45.2117.2143.2-68.90000126.6
139K42.6Very low38.8Very low195 Ų195143 Ų14385%0.84879%0.785SS**  81.5108.6117.3-68.1-173.4-173.8-176.10122
140R33.3Very low38.8Very low261 Ų261139.3 Ų139.399%0.98578%0.78SS**  178.6132.1119.6-127.4176.2-166.5-150.62.7107.6
141G33.7Very low38.8Very low67 Ų67142.5 Ų142.569%0.69178%0.78SS**  cis153.7118.10.600000107.6
142K38.3Very low38.6Very low201 Ų201145.6 Ų145.687%0.87479%0.786SS**  trans173.6116.2143.5-119.5130.6172.9179.90111.5
143S33.1Very low38.8Very low100 Ų100143.4 Ų143.470%0.69978%0.781SS**  trans54.3131.8138.564.70000122.3
144I44.6Very low39.1Very low149 Ų149146.8 Ų146.876%0.76479%0.793SS**  trans100.6129.2151.7-48.7-179.3000116.2
145P39.1Very low39.1Very low120 Ų120144.5 Ų144.578%0.77980%0.796SS**  trans-75.2135-179.932.2-35.4000111.6
146T32.2Very low39.1Very low141 Ų141143.2 Ų143.287%0.86579%0.792SS**  trans-103105174.151.70000110.2
147S37.5Very low38.7Very low108 Ų108146.2 Ų146.276%0.75579%0.793SS**  trans-111.1124.2153-650000107.9
148E37.7Very low39.4Very low181 Ų181149.1 Ų149.185%0.84679%0.793SS**  trans41.3111.2144.2-51.8-165.8105.700119.3
149T39.9Very low39.2Very low132 Ų132152.1 Ų152.181%0.8180%0.803SS**  157.5127.8129.747.80000109.5
150S37.4Very low39.1Very low108 Ų108148.6 Ų148.676%0.75580%0.803SS**  trans-170.796.7156.8-141.80000108.6
151E37.7Very low39.3Very low157 Ų157144.2 Ų144.273%0.73480%0.798SS**  62.799.968.295.4-157.18300112.7A153E151-A153 PolarHBondContact O-N 3.29Å; E151-A153 VanDerWaalsContact O-N 3.12Å
152R37.4Very low39.5Very low256 Ų256147.1 Ų147.197%0.96681%0.808SS**  trans-81.193.5177.9-173.9148.4-147.3125.69.6110.1
153A40.4Very low39.5Very low84 Ų84142.3 Ų142.369%0.69480%0.799SS**  trans32.6107.7143.900000119.2E151E151-A153 PolarHBondContact O-N 3.29Å; E151-A153 VanDerWaalsContact O-N 3.12Å
154Q42.4Very low39.5Very low204 Ų204140.9 Ų140.995%0.95380%0.801SS**  trans-87.8131.2140.6-67.3-176.9-43.100108.7
155S41.1Very low39.2Very low125 Ų125143.2 Ų143.287%0.87481%0.808SS**  trans-110.4143.9166.856.70000110.5
156A42.1Very low39.3Very low81 Ų81146.4 Ų146.467%0.66981%0.81SS**  trans-112.9148.1-150.400000114
157K49.8Very low39.5Very low177 Ų177146.3 Ų146.377%0.7780%0.804SS**  trans70.5142.2147.6-64.3171.9-174.4-174.30115.3
158R48.4Very low39.3Very low209 Ų209146.1 Ų146.179%0.78980%0.803SS**  cis-174170.125.323.4-162.9125.11782.4109.8
159D34.1Very low39.3Very low139 Ų139142.8 Ų142.874%0.74380%0.8SS**  trans79.8107.7162.1-55.1-56.1000118.2
160S39.9Very low39.1Very low121 Ų121143.5 Ų143.585%0.84680%0.798SS**  176.9136111.1-74.10000112.1
161L39.2Very low39.5Very low169 Ų169143.9 Ų143.989%0.88580%0.801SS**  trans-57.4124.7-178-57.9155.3000111.4S163L161-S163 PolarHBondContact O-N 3.12Å
162S37.9Very low39.5Very low128 Ų128145.6 Ų145.690%0.89581%0.806SS**  trans-89.987.1158.1-172.80000107.6
163S38.6Very low39.3Very low99 Ų99137.4 Ų137.469%0.69279%0.793SS**  trans-54136.716649.20000110.5L161L161-S163 PolarHBondContact O-N 3.12Å
164G32.5Very low39.1Very low71 Ų71138.6 Ų138.673%0.73279%0.792SS**  trans-67.9156.1167.700000112.2
165E37Very low39Very low198 Ų198137.1 Ų137.193%0.92579%0.785SS**  trans-122123.4148.9-69-162.6100.800107.9
166K42.6Very low38.6Very low187 Ų187136.7 Ų136.781%0.81377%0.773SS**  trans-70.8163.5159.5-57.5170170.7175.40107
167D35.4Very low38.6Very low138 Ų138140.8 Ų140.874%0.73878%0.783SS**  178.6169.751.3-133-57.6000110.3
168S34.3Very low38Very low105 Ų105139.2 Ų139.273%0.73478%0.778SS**  trans74.6129.3159.6-970000119.4
169S36.4Very low37.3Very low111 Ų111136.4 Ų136.478%0.77677%0.774SS**  cis-158.614122.2-53.30000113.7
170D36.3Very low37.2Very low146 Ų146137.1 Ų137.178%0.78177%0.773SS**  trans-10.3133.6154.7-141-85.7000120.7
171S46.3Very low37.2Very low117 Ų117137.1 Ų137.182%0.81877%0.768SS**  -176.3104.3125.6-78.80000113.9
172K36.8Very low38.1Very low193 Ų193134.1 Ų134.184%0.83976%0.758SS**  trans40.9122.1132.9-108.2-174.7171.3170.40123.7
173A32.7Very low38.5Very low83 Ų83133.4 Ų133.469%0.68675%0.751SS**  69.6136.3126.300000118.7
174T36.8Very low38.5Very low110 Ų110134.3 Ų134.368%0.67576%0.757SS**  cis-171.3143.837.2-60.10000110.4
175Q40.3Very low39.3Very low172 Ų172140.4 Ų140.480%0.80476%0.763SS**  trans57.1114.2155.9-73.4174.1-84.800120.7
176D32.7Very low40Very low116 Ų116140.9 Ų140.962%0.6276%0.763SS**  83.5103.671.7-166.1-109.9000113.1
177L42.4Very low40.2Very low167 Ų167137.7 Ų137.787%0.87476%0.764SS**  trans-161.695.7143-128.476.6000108.9
178Q37.5Very low40.5Very low144 Ų144140.1 Ų140.167%0.67377%0.768SS**  trans-0.7142.8136.7-98.8171.2-64.800116.6
179E33.4Very low41.2Very low151 Ų151142.5 Ų142.571%0.70677%0.771SS**  cis-178.3153.629.7-174.3166118.500110.2
180E33Very low41.2Very low153 Ų153146.6 Ų146.672%0.71578%0.778SS**  trans78.6110.8150.2-88.7-80.6116.200122.2
181T38.1Very low41.7Very low122 Ų122144.7 Ų144.775%0.74878%0.776SS**  trans-138.9166.2141.455.90000107.6
182P59.6Low41.6Very low105 Ų105145.2 Ų145.268%0.68278%0.78SS**  -125.3-178.1-58.136.5-19.9000109.9
183P46.1Very low42.2Very low113 Ų113141.3 Ų141.373%0.73478%0.777SS**  -162.7166.9100.640.4-19.2000118.7
184S39.2Very low43Very low118 Ų118146.2 Ų146.283%0.82579%0.786SS**  trans80.8129.1140.4-67.40000123.9
185K48.3Very low43.7Very low199 Ų199148.9 Ų148.987%0.86580%0.796SS**  trans-53.1139.1164.1-63.3166.5173171.60113.1
186K51.1Low44.4Very low209 Ų209148.5 Ų148.591%0.90979%0.792SS**  149.4126.2130-83.1-179-178.2-174.60114.1
187S47.6Very low45.6Very low119 Ų119152.3 Ų152.383%0.83281%0.806SS**  trans-172110.5144.149.30000106.9
188K42.1Very low46.1Very low189 Ų189152 Ų15282%0.82280%0.8SS**  70.9102.669.7-159.5165.8-178.3-1790113.9
189L48Very low46.8Very low156 Ų156154.2 Ų154.282%0.81783%0.831SS**  trans24.6124.1140.2-68.6154.3000118.4
190E36.8Very low47.5Very low197 Ų197154.4 Ų154.492%0.92184%0.838SS**  -157.7143128.4-158.1164.98200111.4
191S46.1Very low48.2Very low106 Ų106154.5 Ų154.574%0.74184%0.844SS**  trans-72.7157.3-171.2-54.30000114.5
192S45.5Very low48.8Very low128 Ų128156.3 Ų156.390%0.89585%0.85SS**  trans-134.9105.2151.4-166.10000108.5
193S50Low48.1Very low110 Ų110159.3 Ų159.377%0.76986%0.859SS**  trans-77.4149.3177.8-68.90000111.3
194Q48.8Very low48.3Very low186 Ų186162.2 Ų162.287%0.86987%0.867SS**  trans-54.4144.9167.4-65.1162.9-67.500111.8
195D52Low48.9Very low166 Ų166165.1 Ų165.189%0.88887%0.87SS**  trans-131.2130149.1-158.1-115.7000108.3
196F53.4Low48.9Very low165 Ų165162.7 Ų162.772%0.72487%0.87SS**  trans-103.2121.4-170.8-159.1-87.9000106.7E198F196-E198 HydrophobicContact CD1-CB 4.36Å; F196-E198 PolarHBondContact O-N 3.34Å
197E58.7Low48.7Very low195 Ų195159.2 Ų159.291%0.91187%0.867SS**  trans-78.9110.9174-160.3-163135.400108.5
198E53.1Low48.8Very low161 Ų161162.5 Ų162.575%0.75287%0.87SS**  trans-152.1129.5160.2-168.8167.482.500111.5F196F196-E198 HydrophobicContact CD1-CB 4.36Å; F196-E198 PolarHBondContact O-N 3.34Å
199S51.7Low49.5Very low191 Ų191160.1 Ų160.1100%1.33688%0.875SS**  trans91.20169.4-56.80000118.5

Retrieved 199 of 199 residues in 87.1 ms (Link to these results)